Crystallography Open Database

Information card for entry 4329114

Preview

Coordinates	4329114.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-(1-methylhydrazinyl)-1H-tetrazole
Formula	C2 H6 N6
Calculated formula	C2 H6 N6
SMILES	c1([nH]nnn1)N(C)N
Title of publication	Nitrogen-Rich 5-(1-Methylhydrazinyl)tetrazole and its Copper and Silver Complexes
Authors of publication	Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5305 - 5312
a	3.8713 ± 0.0018 Å
b	12.77 ± 0.006 Å
c	9.974 ± 0.005 Å
α	90°
β	93.397 ± 0.006°
γ	90°
Cell volume	492.2 ± 0.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329114.cif
78154	2013-04-01	cif/ Adding structures of 4329114 via cif-deposit CGI script.	4329114.cif